BDBM12341 CHEMBL178681::CHEMBL359657::US8609708, 1::US8609708, 31::[5-(pyridin-3-yl)thiophen-2-yl]methanamine::nicotine 3-heteroaromatic analogue 1a

SMILES: NCc1ccc(s1)-c1cccnc1

InChI Key: InChIKey=JHLIGYPHPBLDDL-UHFFFAOYSA-N

Data: 4 KI  21 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 12341   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.22E+4	n/a	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		80	-10.1	n/a	n/a	n/a	n/a	n/a	7.5	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM12341 (US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...) Show SMILES Show InChI	GoogleScholar	UniChem		2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair